Information card for entry 7035413

Structure parameters

• Formula: C34 H43 Cl9 Hg3 N4 O4
• Calculated formula: C34 H43 Cl9 Hg3 N4 O4
• SMILES: O1c2cc(ccc2C2(c3c1cc(cc3)[NH+](CC)CC)c1ccccc1C(=O)N2Cc1[nH+]cccc1)[NH+](CC)CC.[Hg](Cl)(Cl)(Cl)[Cl][Hg](Cl)(Cl)[Cl][Hg](Cl)Cl.O.O
• Title of publication: An anion induced multisignaling probe for Hg(2+) and its application for fish kidney and liver tissue imaging studies.
• Authors of publication: Mandal, Sandip; Banerjee, Arnab; Ghosh, Debasree; Mandal, Dipak Kumar; Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Garcia, Yann; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13186 - 13195
• a: 10.4157 ± 0.0007 Å
• b: 11.8752 ± 0.001 Å
• c: 19.1618 ± 0.0012 Å
• α: 102.897 ± 0.006°
• β: 96.838 ± 0.005°
• γ: 97.923 ± 0.006°
• Cell volume: 2260.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No